1-Boc-(4-benzyl)piperazine - CAS 57260-70-5
Catalog: |
BB029618 |
Product Name: |
1-Boc-(4-benzyl)piperazine |
CAS: |
57260-70-5 |
Synonyms: |
tert-butyl 4-benzylpiperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-benzylpiperazine-1-carboxylate |
Description: | 1-Boc-(4-benzyl)piperazine (CAS# 57260-70-5) is a useful research chemical. |
Molecular Weight: | 276.37 |
Molecular Formula: | C16H24N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-11-9-17(10-12-18)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3 |
InChI Key: | GVHSMUYEAWMYLM-UHFFFAOYSA-N |
Boiling Point: | 362.5 °C at 760 mmHg |
Density: | 1.087 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00075603 |
LogP: | 2.61510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021300947-A1 | Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune disease | 20180612 |
US-2021163454-A1 | Small molecule inhibitors of ebola and lassa fever viruses and methods of use | 20170908 |
EP-3481824-A1 | 2-phenylimidazo[4,5-b]pyridin-7-amine derivates useful as inhibitors of mammalian tyrosine kinase ror1 activity | 20160711 |
JP-2019520412-A | 2-Phenylimidazo [4,5-B] pyridine-7-amine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity | 20160711 |
KR-20190026006-A | Phenylimidazo [4,5-b] pyridine-7-amine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity | 20160711 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.183778013 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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